(2H-1,3-benzodioxol-5-yl)[4-(5-ethyl-3-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)[4-(5-ethyl-3-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
(2H-1,3-benzodioxol-5-yl)[4-(5-ethyl-3-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | P664-0963 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)[4-(5-ethyl-3-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C20 H22 N6 O3 |
| Smiles: | CCc1cc(nc2nnc(C)n12)N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8618 |
| logD: | 1.8618 |
| logSw: | -2.1999 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.311 |
| InChI Key: | LPMJNWVYOFCVEW-UHFFFAOYSA-N |